Benzomalvin b
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Formula: C24H17N3O2
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Molecular weight: 379.40
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Smiles: CN1C(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C1=O
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Type: Benzodiazepine alkaloid
Benzomalvin b
Names
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Mycotoxin name: Benzomalvin b
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First synonym: Benzomalvin b
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Synonyms: Benzomalvin B,(7E)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione,157047-97-7,Benzomalvin B_120255
Identifiers / External links
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CAS: 157047-97-7
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PubChem CID: 6443512
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ChemSpiderID: 4947496
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Chemical Entities of Biological Interest (CHEBI): CHEBI:217580
Structure
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Smiles: CN1C(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C1=O
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Isomeric smiles: CN1/C(=C/C2=CC=CC=C2)/C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C1=O
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Inchi: InChI=1S/C24H17N3O2/c1-26-21(15-16-9-3-2-4-10-16)22-25-19-13-7-5-11-17(19)24(29)27(22)20-14-8-6-12-18(20)23(26)28/h2-15H,1H3/b21-15+
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Inchikey: HXDZMNFJQNZXKW-RCCKNPSSSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H17N3O2
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Molecular weight: 379.40
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Monoisotopic mass: 379.132076794
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Fungi
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Fungi id Species 929 Penicillium sp.